2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid

C12H13N3O2S2 — CID 113380415

IUPAC2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Sc2nc(CC)ns2)n1
InChIInChI=1S/C12H13N3O2S2/c1-3-8-5-7(11(16)17)6-10(13-8)18-12-14-9(4-2)15-19-12/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyQBPZNYNNJFVELX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.91
Rot. Bonds5

About 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid

2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 113380415) has the molecular formula C12H13N3O2S2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID113380415
Molecular FormulaC12H13N3O2S2
Molecular Weight295.39 g/mol
Exact Mass295.04
IUPAC Name2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Sc2nc(CC)ns2)n1
InChIInChI=1S/C12H13N3O2S2/c1-3-8-5-7(11(16)17)6-10(13-8)18-12-14-9(4-2)15-19-12/h5-6H,3-4H2,1-2H3,(H,16,17)
InChIKeyQBPZNYNNJFVELX-UHFFFAOYSA-N
XLogP2.91
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzoic acid
CID 65271954
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylbenzoic acid
CID 81294447
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-5-nitropyridine-3-carboxylic acid
CID 81438979
2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80963962
6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720407
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-2-methylpropanoic acid
CID 81229428
5-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrazin-2-amine
CID 80663619
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]acetic acid
CID 21403843
[2-tert-butyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-yl]hydrazine
CID 80980190
2-(1-methylpyrazol-4-yl)sulfanyl-6-propylpyridine-4-carboxylic acid
CID 113380392
2-(diaminoamino)-6-ethylpyridine-4-carboxylic acid
CID 151938896

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid (CID 113380415) is 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Sc2nc(CC)ns2)n1.
What is the InChIKey of 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is QBPZNYNNJFVELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S2/c1-3-8-5-7(11(16)17)6-10(13-8)18-12-14-9(4-2)15-19-12/h5-6H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid?
2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid has a molecular weight of 295.39 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 113380415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).